Basic information
- Standard SMILES
O=C(NN1CCOCC1)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1.O=C(O)C(F)(F)F- InChIKey
XZAJTPBVNNJTLA-UHFFFAOYSA-N- Molecular formula
- C21H24ClF3N4O6S
- Average molar mass
- 553 g/mol
- Monoisotopic mass
- 552.1057179
Names & identifiers
- Preferred name
- 1-[(6-chloronaphthalen-2-yl)sulfonyl]-3-[N-(morpholin-4-yl)carbamoyl]piperazine Trifluoroacetate
- IUPAC
- 4-(6-chloronaphthalen-2-yl)sulfonyl-N-morpholin-4-ylpiperazine-2-carboxamide;2,2,2-trifluoroacetic acid
Names & synonyms
1-[(6-chloronaphthalen-2-yl)sulfonyl]-3-[N-(morpholin-4-yl)carbamoyl]piperazine TrifluoroacetateSCHEMBL6725354
Database identifiers
- PubChem CID
- 22709676
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 766
Related reactions
1 records
Compound notes
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